9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole

C38H25N7 — CID 59480320

IUPAC9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESCc1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1
InChIInChI=1S/C38H25N7/c1-24-20-31(29-10-6-14-37(42-29)44-33-12-4-2-8-25(33)27-16-18-39-22-35(27)44)41-32(21-24)30-11-7-15-38(43-30)45-34-13-5-3-9-26(34)28-17-19-40-23-36(28)45/h2-23H,1H3
InChIKeyGMYUJVFEPIGESZ-UHFFFAOYSA-N
MW579.67 g/mol
LogP8.50
Rot. Bonds4

About 9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole

9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (PubChem CID 59480320) has the molecular formula C38H25N7 and a molecular weight of 579.67 g/mol. Its IUPAC name is 9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
PubChem CID59480320
Molecular FormulaC38H25N7
Molecular Weight579.67 g/mol
Exact Mass579.22
IUPAC Name9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
SMILESCc1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1
InChIInChI=1S/C38H25N7/c1-24-20-31(29-10-6-14-37(42-29)44-33-12-4-2-8-25(33)27-16-18-39-22-35(27)44)41-32(21-24)30-11-7-15-38(43-30)45-34-13-5-3-9-26(34)28-17-19-40-23-36(28)45/h2-23H,1H3
InChIKeyGMYUJVFEPIGESZ-UHFFFAOYSA-N
XLogP8.50
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.67
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole (CID 59480320) is 9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is Cc1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)c1.
What is the InChIKey of 9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
The InChIKey is GMYUJVFEPIGESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N7/c1-24-20-31(29-10-6-14-37(42-29)44-33-12-4-2-8-25(33)27-16-18-39-22-35(27)44)41-32(21-24)30-11-7-15-38(43-30)45-34-13-5-3-9-26(34)28-17-19-40-23-36(28)45/h2-23H,1H3.
What are the key properties of 9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole?
9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole has a molecular weight of 579.67 g/mol, XLogP of 8.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-methyl-6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59480320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).